CLOFIBRATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C10AB01
UNII HPN91K7FU3
EPA CompTox DTXSID3020336

Structure

InChI Key KNHUKKLJHYUCFP-UHFFFAOYSA-N
Smiles CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChI
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15ClO3
Molecular Weight 242.7
AlogP 3.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 18.11
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 114.71-127.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 114.71-127.7
Homo sapiens
- - - - 18.11
Mus musculus
- - - - 12-25.5
Rattus norvegicus
- - - - 9-78

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Related Entries

Cross References

Resources Reference
ChEBI 3750
ChEMBL CHEMBL565
DrugBank DB00636
DrugCentral 694
FDA SRS HPN91K7FU3
Human Metabolome Database HMDB0014774
Guide to Pharmacology 2667
KEGG C06916
PharmGKB PA449045
PubChem 2796
SureChEMBL SCHEMBL2356
ZINC ZINC000000056648
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